Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.47 |
| ▸ | CCR5 | P51681 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | CHRNB3 | Q05901 | 2/20 | 0.44 |
| ▸ | CHRNA6 | Q15825 | 2/20 | 0.44 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL25840964 | 0.98 | ALDH1A1 (0.67) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL17809474 | 0.96 | ALDH1A1 (0.57) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL25810394 | 0.92 | HPGD (0.56) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL17177147 | 0.86 | GRM5 (0.59) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL25843142 | 0.85 | HTT (0.51) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL25810405 | 0.83 | TSHR (0.49) | ALDH1A1TSHRLMNAHPGDSMN1; SMN2 | |
| SCHEMBL25840976 | 0.83 | CHRNB2 (0.58) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL25503911 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL17177244 | 0.82 | GRM5 (0.49) | ALDH1A1TSHRHSD11B1LMNAHPGD | |
| SCHEMBL25840973 | 0.81 | CNR2 (0.45) | ALDH1A1TSHRHSD11B1LMNAHPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125737-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | SILEXON AI TECHNOLOGY CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| WO-2023116763-A1 | PYRIDAZINE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海优理惠生医药有限公司 | 2023-06-29 | — | — | WO | disclosed |